4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide

C13H19ClN2O3 — CID 55234275

IUPAC4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
SMILESCOC(CNc1cc(Cl)ccc1C(=O)N(C)C)OC
InChIInChI=1S/C13H19ClN2O3/c1-16(2)13(17)10-6-5-9(14)7-11(10)15-8-12(18-3)19-4/h5-7,12,15H,8H2,1-4H3
InChIKeyWZVAOVUOZAHUDS-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.07
Rot. Bonds6

About 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide

4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide (PubChem CID 55234275) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
PubChem CID55234275
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
SMILESCOC(CNc1cc(Cl)ccc1C(=O)N(C)C)OC
InChIInChI=1S/C13H19ClN2O3/c1-16(2)13(17)10-6-5-9(14)7-11(10)15-8-12(18-3)19-4/h5-7,12,15H,8H2,1-4H3
InChIKeyWZVAOVUOZAHUDS-UHFFFAOYSA-N
XLogP2.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
methyl 5-chloro-2-(2,2-dimethoxyethylamino)benzoate
CID 63685157
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
4-chloro-2-(2,3-dimethoxypropylamino)benzoic acid
CID 114102004
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide (CID 55234275) is 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide is COC(CNc1cc(Cl)ccc1C(=O)N(C)C)OC.
What is the InChIKey of 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide?
The InChIKey is WZVAOVUOZAHUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-16(2)13(17)10-6-5-9(14)7-11(10)15-8-12(18-3)19-4/h5-7,12,15H,8H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide?
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide has a molecular weight of 286.76 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 55234275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).